Information card for entry 7025286

Structure parameters

• Chemical name: Cr{HC(Me2pz)2SiMe2N(H)Ph}Cl3 .CH2Cl2
• Formula: C20 H29 Cl5 Cr N5 Si
• Calculated formula: C20 H29 Cl5 Cr N5 Si
• SMILES: [Cr]12([n]3n(c(cc3C)C)C(n3[n]1c(cc3C)C)[Si]([NH]2c1ccccc1)(C)C)(Cl)(Cl)Cl.C(Cl)Cl
• Title of publication: Synthesis and ethylene trimerisation capability of new chromium(II) and chromium(III) heteroscorpionate complexes.
• Authors of publication: Kilpatrick, Alexander F. R.; Kulangara, Shaneesh Vadake; Cushion, Michael G.; Duchateau, Robbert; Mountford, Philip
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 15
• Pages of publication: 3653 - 3664
• a: 8.5884 ± 0.0002 Å
• b: 11.9779 ± 0.0004 Å
• c: 13.6741 ± 0.0005 Å
• α: 75.1113 ± 0.0014°
• β: 76.7912 ± 0.0014°
• γ: 76.1372 ± 0.0017°
• Cell volume: 1298.79 ± 0.07 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0669
• Residual factor for significantly intense reflections: 0.0494
• Weighted residual factors for all reflections: 0.0578
• Weighted residual factors for significantly intense reflections: 0.0467
• Weighted residual factors for all reflections included in the refinement: 0.0448
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1225
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No